[
  {
    "molid": "mol687",
    "smiles": "COc1cc(CCN)cc(OC)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(CCN)cc(OC)c1OC",
        "std_free_energy": -1.317547082901001,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc(CC[NH3+])cc(OC)c1OC",
        "std_free_energy": -8.982158660888672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]